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(Z,3R,4S)-3-benzoxyhexadec-6-ene-1,4-diol

View entire compound with spectra: 1 NMR, 1 FTIR, and 1 MS (GC)

(Z,3R,4S)-3-benzoxyhexadec-6-ene-1,4-diol
SpectraBase Compound ID KUMoB7Xuj3G
InChI InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-14-17-22(25)23(18-19-24)26-20-21-15-12-11-13-16-21/h10-16,22-25H,2-9,17-20H2,1H3/b14-10-/t22-,23+/m0/s1
InChIKey KPMAXIRROZOTCP-FPLZFDOZSA-N
Mol Weight 362.6 g/mol
Molecular Formula C23H38O3
Exact Mass 362.282095 g/mol

Vapor Phase (Gas) Infrared Spectrum

Vapor Phase (Gas) Infrared Spectrum

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SpectraBase Spectrum ID 6RLB8FIkVD4
Name (Z,3R,4S)-3-Benzoxyhexadec-6-ene-1,4-diol
Comments Computed using SmartSpectra Model v1.42
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 362.282095081 u
Formula C23H38O3
InChI InChI=1S/C23H38O3/c1-2-3-4-5-6-7-8-9-10-14-17-22(25)23(18-19-24)26-20-21-15-12-11-13-16-21/h10-16,22-25H,2-9,17-20H2,1H3/b14-10-/t22-,23+/m0/s1
InChIKey KPMAXIRROZOTCP-FPLZFDOZSA-N
Molecular Weight 362.554 g/mol
SMILES [C@@](OCC=1C=CC=CC1)([C@@](O)(C\C=C/CCCCCCCCC)[H])(CCO)[H]
Spectrum/Structure Validation Score (Vapor Phase IR) 0.913926